<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_34687"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
     xmlns:owl="http://www.w3.org/2002/07/owl#"
     xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"
     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
     xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
     xmlns:ns4="https://w3id.org/chemrof/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/"
     xmlns:ns3="http://purl.obolibrary.org/obo/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/charge"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/generalized_empirical_formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasAlternativeId"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/mass"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/monoisotopic_mass"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Datatypes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Classes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24431 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24431">
        <rdfs:label>chemical entity</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_34687 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_34687">
        <rdfs:label>dibutyl phthalate</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
        <ns4:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns4:charge>
        <ns4:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">278.15181</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">278.348</ns4:mass>
        <ns4:generalized_empirical_formula>C16H22O4</ns4:generalized_empirical_formula>
        <oboInOwl:hasRelatedSynonym>Dibutyl o-phthalate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:28822891</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:34687</oboInOwl:id>
        <oboInOwl:hasDbXref>pubmed:28363850</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:28566680</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:28102498</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0033244</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:24213843</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.compound:C14214</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>gmelin:262569</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugcentral:4414</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:28486587</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:24616073</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>wikipedia.en:Dibutyl_phthalate</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3</ns4:inchi_string>
        <oboInOwl:hasRelatedSynonym>Phthalic acid dibutyl ester</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>dibutyl benzene-1,2-dicarboxylate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Di-n-butyl phthalate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Benzene-o-dicarboxylic acid di-n-butyl ester</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>dibutyl benzene-1,2-dicarboxylate</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>reaxys:1914064</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:28580302</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>Dibutyl-o-phthalate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>DBP</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>ppdb:2924</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16232742</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of  butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.</ns3:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>Benzenedicarboxylic acid dibutyl ester</oboInOwl:hasRelatedSynonym>
        <ns4:inchi_key_string>DOIRQSBPFJWKBE-UHFFFAOYSA-N</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>1,2-Benzenedicarboxylic acid dibutyl ester</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:535597</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>cas:84-74-2</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>o-Benzenedicarboxylic acid dibutyl ester</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:28823096</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:26730679</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Dibutyl 1,2-benzenedicarboxylate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:24468924</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Dibutyl phthalate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Phthalic acid di-n-butyl ester</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Butyl phthalate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:11133400</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>n-Butyl phthalate</oboInOwl:hasRelatedSynonym>
        <ns4:smiles_string>CCCCOC(=O)c1ccccc1C(=O)OCCCC</ns4:smiles_string>
        <oboInOwl:hasDbXref>pubmed:28753974</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19840837</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:27655612</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
</rdf:RDF>



<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



